2-(2-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

C19H21N5O — CID 15990236

IUPAC2-(2-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(CN2CCN(c3ccccn3)CC2)o1
InChIInChI=1S/C19H21N5O/c1-15-6-2-3-7-16(15)19-22-21-18(25-19)14-23-10-12-24(13-11-23)17-8-4-5-9-20-17/h2-9H,10-14H2,1H3
InChIKeyRDAMNLMXYGKMEW-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.76
Rot. Bonds4

About 2-(2-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

2-(2-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 15990236) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID15990236
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-(2-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(CN2CCN(c3ccccn3)CC2)o1
InChIInChI=1S/C19H21N5O/c1-15-6-2-3-7-16(15)19-22-21-18(25-19)14-23-10-12-24(13-11-23)17-8-4-5-9-20-17/h2-9H,10-14H2,1H3
InChIKeyRDAMNLMXYGKMEW-UHFFFAOYSA-N
XLogP2.76
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (CID 15990236) is 2-(2-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is Cc1ccccc1-c1nnc(CN2CCN(c3ccccn3)CC2)o1.
What is the InChIKey of 2-(2-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is RDAMNLMXYGKMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-15-6-2-3-7-16(15)19-22-21-18(25-19)14-23-10-12-24(13-11-23)17-8-4-5-9-20-17/h2-9H,10-14H2,1H3.
What are the key properties of 2-(2-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
2-(2-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 335.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 15990236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).